二腺苷六磷酸酯
TL;DR: 二腺苷六磷酸酯 (CAS 58661-24-8) is a chemical compound with molecular formula C20H30N10O25P6 and molecular weight 995.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二腺苷六磷酸酯
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Also Known As: Diadenosine hexaphosphate, Ap6A, AppppppA, Ap(6)A, P1,P6-di(Adenosine-5')hexaphosphate
| Molecular Formula | C20H30N10O25P6 |
|---|---|
| Molecular Weight | 995.98 g/mol |
| LogP | -10.5 |
| Topological Polar Surface Area | 527.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 18 |
| Exact Mass | 995.98096 |
| Heavy Atoms | 61 |
| Complexity | 1760.0 |
Chemical Identifiers
| CAS Number | 58661-24-8 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N |
| InChIKey | PZCFFCOJNXGTIM-XPWFQUROSA-N |
Product Overview
二腺苷六磷酸酯 (CAS 58661-24-8), with molecular formula C20H30N10O25P6 and molecular weight 995.98 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate.
Chemical Property Profile of 二腺苷六磷酸酯
Property Insights of 二腺苷六磷酸酯
The XLogP value of -10.5 indicates that 二腺苷六磷酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 527.0 Ų indicates high polarity, suggesting 二腺苷六磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 二腺苷六磷酸酯 has 12 hydrogen bond donor(s) and 33 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 二腺苷六磷酸酯?
The CAS number of 二腺苷六磷酸酯 is 58661-24-8.
What is the molecular formula of 二腺苷六磷酸酯?
The molecular formula of 二腺苷六磷酸酯 is C20H30N10O25P6.
What is the molecular weight of 二腺苷六磷酸酯?
The molecular weight of 二腺苷六磷酸酯 is 995.98 g/mol.
Where can I buy 二腺苷六磷酸酯?
You can request a quote for 二腺苷六磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二腺苷六磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 二腺苷六磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.